! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
S   -1.3923810547   0.7651091847   1.1247625895
O   -2.3920196491   0.0073196332  -2.4274228256
N   -1.8480902157  -0.1804546731  -0.2065116894
C    2.0475055796  -2.1852648103  -0.6519251488
C    0.6028376983  -1.8128729677  -0.9785596299
C    2.6569815875  -1.4374546300   0.5337462262
C   -0.3808009504  -2.1517351053   0.1335351284
C    2.6204095089   0.0797460974   0.3974373203
C   -1.7888904391  -1.6304237878  -0.1131162152
C    3.3262398304   0.8046817673   1.5357473080
C    3.2330227144   2.3177920849   1.4090780306
C   -2.0834489587   0.5276747721  -1.3574626189
C   -1.9154646655   1.9443863870  -1.0766857083
C   -1.5460175857   2.1913080241   0.1893718452
H    2.6621013189  -1.9984940029  -1.5375886755
H    2.1091976087  -3.2617237163  -0.4644976889
H    0.2979087491  -2.3348405914  -1.8899607796
H    0.5512774674  -0.7467077583  -1.2171392250
H    3.6963494215  -1.7612450465   0.6467078500
H    2.1583510556  -1.7284262172   1.4637363637
H   -0.0222683919  -1.7773564271   1.0971667583
H   -0.4505233412  -3.2365941953   0.2479434884
H    1.5826690307   0.4260937399   0.3577502818
H    3.0740355195   0.3721354475  -0.5565296192
H   -2.4630862357  -1.9631542736   0.6775162354
H   -2.1869572756  -2.0160714286  -1.0506127712
H    2.8901526193   0.4916452437   2.4894267246
H    4.3769957726   0.5010710257   1.5684059819
H    3.7405724279   2.8248672795   2.2307008727
H    3.6844619875   2.6673775315   0.4785101703
H    2.1926200277   2.6496696938   1.4116823617
H   -2.0686879224   2.7026385992  -1.8293536581
H   -1.3567527752   3.1500892850   0.6495535235
*